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Compile Data Set for Download or QSAR

Found 135 hits with Last Name = 'dexheimer' and Initial = 'ts'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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480n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM65511
PNG
(CPZ analog, 5)
Show SMILES Clc1ccc2Sc3ccccc3N(CCCCN3CCOCC3)c2c1
Show InChI InChI=1S/C20H23ClN2OS/c21-16-7-8-20-18(15-16)23(17-5-1-2-6-19(17)25-20)10-4-3-9-22-11-13-24-14-12-22/h1-2,5-8,15H,3-4,9-14H2
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>2.97E+3n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM65514
PNG
(CPZ analog, 8)
Show SMILES COC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H16ClNO2S/c1-25-21(24)15-8-6-14(7-9-15)13-23-17-4-2-3-5-19(17)26-20-11-10-16(22)12-18(20)23/h2-12H,13H2,1H3
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>2.50E+5n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM65507
PNG
(CPZ analog, 1)
Show SMILES CC(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H20ClNS/c1-13(2)6-5-11-20-15-7-3-4-8-17(15)21-18-10-9-14(19)12-16(18)20/h3-4,7-10,12-13H,5-6,11H2,1-2H3
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>2.50E+5n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM65512
PNG
(CPZ analog, 6)
Show SMILES OC(=O)C#CCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H10ClNO2S/c17-11-7-8-15-13(10-11)18(9-3-6-16(19)20)12-4-1-2-5-14(12)21-15/h1-2,4-5,7-8,10H,9H2,(H,19,20)
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>2.50E+5n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM65513
PNG
(CPZ analog, 7)
Show SMILES OC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C20H14ClNO2S/c21-15-9-10-19-17(11-15)22(16-3-1-2-4-18(16)25-19)12-13-5-7-14(8-6-13)20(23)24/h1-11H,12H2,(H,23,24)
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>2.50E+5n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM65508
PNG
(CPZ analog, 2)
Show SMILES OS(=O)(=O)CCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H16ClNO3S2/c17-12-7-8-16-14(11-12)18(9-3-4-10-23(19,20)21)13-5-1-2-6-15(13)22-16/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21)
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>2.50E+5n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
PDB
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n/an/a 17n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352028
PNG
(US9802904, 89)
PDB
MMDB

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n/an/a 34n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350387
PNG
(US9802904, 60)
PDB
MMDB

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n/an/a 43n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352011
PNG
(US9802904, 72)
PDB
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n/an/a 43n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352013
PNG
(US9802904, 74)
PDB
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n/an/a 48n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352025
PNG
(US9802904, 86)
PDB
MMDB

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n/an/a 61n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351737
PNG
(US9802904, 61)
PDB
MMDB

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n/an/a 61n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352018
PNG
(US9802904, 79)
PDB
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n/an/a 61n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350386
PNG
(US9802904, 59)
PDB
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n/an/a 68n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a 76n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351922
PNG
(US9802904, 64)
PDB
MMDB

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n/an/a 86n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Bloom syndrome protein


(Homo sapiens (Human))
BDBM50440514
PNG
(CHEMBL2426190)
Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C#N
Show InChI InChI=1S/C15H9ClN6OS/c16-12-2-1-11(7-10(12)8-17)19-14(23)20-15-22-21-13(24-15)9-3-5-18-6-4-9/h1-7H,(H2,19,20,22,23)
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n/an/a 100n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay


Bioorg Med Chem Lett 23: 5660-6 (2013)

Checked by Author
Article DOI: 10.1016/j.bmcl.2013.08.025
BindingDB Entry DOI: 10.7270/Q2KK9D78
More data for this
Ligand-Target Pair
Bloom syndrome protein


(Homo sapiens (Human))
BDBM50440527
PNG
(CHEMBL2426164)
Show SMILES Brc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C#N
Show InChI InChI=1S/C15H9BrN6OS/c16-12-2-1-11(7-10(12)8-17)19-14(23)20-15-22-21-13(24-15)9-3-5-18-6-4-9/h1-7H,(H2,19,20,22,23)
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n/an/a 110n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay


Bioorg Med Chem Lett 23: 5660-6 (2013)

Checked by Author
Article DOI: 10.1016/j.bmcl.2013.08.025
BindingDB Entry DOI: 10.7270/Q2KK9D78
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350385
PNG
(US9802904, 59)
PDB
MMDB

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n/an/a 120n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350377
PNG
(US9802904, 51)
PDB
MMDB

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n/an/a 120n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352015
PNG
(US9802904, 76)
PDB
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n/an/a 120n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351934
PNG
(US9802904, 66)
PDB
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n/an/a 140n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351941
PNG
(US9802904, 67)
PDB
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n/an/a 140n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350383
PNG
(US9802904, 57)
PDB
MMDB

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n/an/a 140n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351827
PNG
(US9802904, 63)
PDB
MMDB

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n/an/a 150n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350384
PNG
(US9802904, 58)
PDB
MMDB

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n/an/a 150n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352027
PNG
(US9802904, 88)
PDB
MMDB

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n/an/a 150n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352029
PNG
(US9802904, 90)
PDB
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n/an/a 190n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350381
PNG
(US9802904, 55)
PDB
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n/an/a 220n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351968
PNG
(US9802904, 69)
PDB
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n/an/a 220n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352021
PNG
(US9802904, 82)
PDB
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n/an/a 240n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350378
PNG
(US9802904, 52)
PDB
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n/an/a 240n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351779
PNG
(US9802904, 62)
PDB
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n/an/a 270n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Bloom syndrome protein


(Homo sapiens (Human))
BDBM50440533
PNG
(CHEMBL2426169)
Show SMILES Fc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C#N
Show InChI InChI=1S/C15H9FN6OS/c16-12-2-1-11(7-10(12)8-17)19-14(23)20-15-22-21-13(24-15)9-3-5-18-6-4-9/h1-7H,(H2,19,20,22,23)
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n/an/a 300n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay


Bioorg Med Chem Lett 23: 5660-6 (2013)

Checked by Author
Article DOI: 10.1016/j.bmcl.2013.08.025
BindingDB Entry DOI: 10.7270/Q2KK9D78
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350376
PNG
(US9802904, 50)
PDB
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n/an/a 340n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352012
PNG
(US9802904, 73)
PDB
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n/an/a 380n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350368
PNG
(US9802904, 19)
PDB
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n/an/a 480n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350382
PNG
(US9802904, 56)
PDB
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n/an/a 480n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351932
PNG
(US9802904, 65)
PDB
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n/an/a 480n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352017
PNG
(US9802904, 78)
PDB
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n/an/a 480n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350369
PNG
(US9802904, 20 | US9802904, 21)
PDB
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n/an/a 610n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Bloom syndrome protein


(Homo sapiens (Human))
BDBM50440528
PNG
(CHEMBL2426165)
Show SMILES Brc1cc(NC(=O)Nc2nnc(s2)-c2ccncc2)ccc1C#N
Show InChI InChI=1S/C15H9BrN6OS/c16-12-7-11(2-1-10(12)8-17)19-14(23)20-15-22-21-13(24-15)9-3-5-18-6-4-9/h1-7H,(H2,19,20,22,23)
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n/an/a 910n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay


Bioorg Med Chem Lett 23: 5660-6 (2013)

Checked by Author
Article DOI: 10.1016/j.bmcl.2013.08.025
BindingDB Entry DOI: 10.7270/Q2KK9D78
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352008
PNG
(US9802904, 70)
PDB
MMDB

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n/an/a 1.10E+3n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Bloom syndrome protein


(Homo sapiens (Human))
BDBM50440538
PNG
(CHEMBL2426174)
Show SMILES O=C(Nc1nnc(s1)-c1ccncc1)Nc1ccc(-c2cn[nH]c2)c(c1)C#N
Show InChI InChI=1S/C18H12N8OS/c19-8-12-7-14(1-2-15(12)13-9-21-22-10-13)23-17(27)24-18-26-25-16(28-18)11-3-5-20-6-4-11/h1-7,9-10H,(H,21,22)(H2,23,24,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay


Bioorg Med Chem Lett 23: 5660-6 (2013)

Checked by Author
Article DOI: 10.1016/j.bmcl.2013.08.025
BindingDB Entry DOI: 10.7270/Q2KK9D78
More data for this
Ligand-Target Pair
Werner syndrome ATP-dependent helicase


(Homo sapiens (Human))
BDBM50440527
PNG
(CHEMBL2426164)
Show SMILES Brc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C#N
Show InChI InChI=1S/C15H9BrN6OS/c16-12-2-1-11(7-10(12)8-17)19-14(23)20-15-22-21-13(24-15)9-3-5-18-6-4-9/h1-7H,(H2,19,20,22,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of WRN (unknown origin) by gel-based DNA unwinding assay


Bioorg Med Chem Lett 23: 5660-6 (2013)

Checked by Author
Article DOI: 10.1016/j.bmcl.2013.08.025
BindingDB Entry DOI: 10.7270/Q2KK9D78
More data for this
Ligand-Target Pair
Bloom syndrome protein


(Homo sapiens (Human))
BDBM50440517
PNG
(CHEMBL2426193)
Show SMILES [O-][N+](=O)c1cc(NC(=O)Nc2nnc(s2)-c2ccncc2)ccc1Cl
Show InChI InChI=1S/C14H9ClN6O3S/c15-10-2-1-9(7-11(10)21(23)24)17-13(22)18-14-20-19-12(25-14)8-3-5-16-6-4-8/h1-7H,(H2,17,18,20,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay


Bioorg Med Chem Lett 23: 5660-6 (2013)

Checked by Author
Article DOI: 10.1016/j.bmcl.2013.08.025
BindingDB Entry DOI: 10.7270/Q2KK9D78
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350365
PNG
(US9802904, 16)
PDB
MMDB

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n/an/a 1.40E+3n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Bloom syndrome protein


(Homo sapiens (Human))
BDBM48721
PNG
(1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...)
Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)
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UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay


Bioorg Med Chem Lett 23: 5660-6 (2013)

Checked by Author
Article DOI: 10.1016/j.bmcl.2013.08.025
BindingDB Entry DOI: 10.7270/Q2KK9D78
More data for this
Ligand-Target Pair
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